Li3Ge3Se6: the first ternary lithium germanium selenide with interesting ∞[Ge6Se12]n chains constructed by ethane-like [Ge2Se6]6- clusters.

Author(s) Li, G.; Zhen, N.; Chu, Y.; Zhou, Z.
Journal Dalton Trans
Date Published 2017 Dec 21

Li3Ge3Se6, the first compound of the ternary Li/Ge/Se system, has been synthesized. Note that interesting 1D ∞[Ge6Se12]n chains constructed by ethane-like [Ge2Se6]6- clusters were discovered in its structure. Investigations on the structures of all the [Ge2Se6]6- cluster-containing compounds have shown that only in Li3Ge3Se6 are there 1D chains composed of [Ge2Se6]6- clusters, which result from the space limitation within the tunnels surrounded by LiSe6 octahedra. Raman spectrum was obtained to demonstrate the existence of Ge-Ge bonds. UV-visible-NIR diffuse reflection spectrum showed an optical bandgap of 2.08 eV. Theoretical calculations based on first principles have also been performed for its band structure and density of states to analyze its structure-property relationship.

DOI 10.1039/c7dt03781c
ISSN 1477-9234
Citation Dalton Trans. 2017;46(47):1639916403.

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